UCSF

ZINC27500625

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 6.97 -21.41 3 7 0 103 418.84 4
Hi High (pH 8-9.5) 4.36 5.09 -65.33 2 7 -1 107 417.832 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )